Evaluation of intramolecular charge transfer state of 4-N, N-dimethylamino cinnamaldehyde using time-dependent density functional theory

Journal of Chemical Sciences

Volumn 125, Issue 4, 2013, Pages 933-938

  Ghosh, Subhadip ^b   Ghosh, Surajit ^a   Girish, K V S ^b  

^a VIDYASAGAR UNIVERSITY   (India)

^b NATIONAL INSTITUTE OF SCIENCE EDUCATION AND RESEARCH   (India)

Author keywords

density functional theory (DFT); dimethylamino cinnamaldehyde (DMACA); Gaussian; Twisted intermediate charge transfer (TICT)

Indexed keywords

CINNAMALDEHYDE; GAUSSIANS; INTRA-MOLECULAR CHARGE TRANSFER; POLARIZABLE CONTINUUM MODEL; POTENTIAL ENERGY CURVES; SOLVENT-SOLUTE INTERACTIONS; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TWISTED INTERMEDIATE CHARGE TRANSFER (TICT);

CONTINUUM MECHANICS; DENSITY FUNCTIONAL THEORY; SOLVENTS;

CHARGE TRANSFER;

EID: 84883628537     PISSN: 09743626     EISSN: 09737103     Source Type: Journal    
DOI: 10.1007/s12039-013-0446-2     Document Type: Article

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